N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-isoquinolin-2-ium-2-yl-N-methyl-ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-isoquinolin-2-ium-2-yl-N-methyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-isoquinolin-2-ium-2-yl-N-methyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-(2-isoquinolin-2-iumyl)-N-methylacetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-isoquinolin-2-ium-2-yl-N-methylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-2-isoquinolin-2-ium-2-yl-N-methyl-acetamide Formula: C23H22N5O3+ MolecularWeight: 416.45248

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H21N5O3/c1-26(19(29)15-27-12-11-17-9-5-6-10-18(17)14-27)20-21(24)28(23(31)25-22(20)30)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H2-,24,25,30,31)/p+1